Jia R - Search Results

1

Theoretical Study on Zigzag Boron Nitride Nanowires.

Li FY, Zhang JQ, Zhang HX, Wang J, Jia R. Li FY, et al. Among authors: jia r. Chemphyschem. 2023 May 16;24(10):e202200813. doi: 10.1002/cphc.202200813. Epub 2023 Feb 23. Chemphyschem. 2023. PMID: 36759326

2

Investigation of properties of Mg(n) clusters and their hydrogen storage mechanism: a study based on DFT and a global minimum optimization method.

Shen D, Kong CP, Jia R, Fu P, Zhang HX. Shen D, et al. Among authors: jia r. J Phys Chem A. 2015 Apr 16;119(15):3636-43. doi: 10.1021/acs.jpca.5b01474. Epub 2015 Apr 6. J Phys Chem A. 2015. PMID: 25804367

3

What Makes Hydroxamate a Promising Anchoring Group in Dye-Sensitized Solar Cells? Insights from Theoretical Investigation.

Li W, Rego LG, Bai FQ, Wang J, Jia R, Xie LM, Zhang HX. Li W, et al. Among authors: jia r. J Phys Chem Lett. 2014 Nov 20;5(22):3992-9. doi: 10.1021/jz501973d. Epub 2014 Nov 4. J Phys Chem Lett. 2014. PMID: 26276483

4

Comprehensive Investigation into Luminescent Properties of Ir(III) Complexes: An Integrated Computational Study of Radiative and Nonradiative Decay Processes.

Wang Y, Bao P, Wang J, Jia R, Bai FQ, Zhang HX. Wang Y, et al. Among authors: jia r. Inorg Chem. 2018 Jun 4;57(11):6561-6570. doi: 10.1021/acs.inorgchem.8b00705. Epub 2018 May 24. Inorg Chem. 2018. PMID: 29792424

5

Investigating detailed mechanism of hydrogen molecules adsorbing on single-wall carbon nanotubes using fitted force field parameters containing carbon-carbon interactions.

Kong CP, Gao X, Jia R, Zhang HX. Kong CP, et al. Among authors: jia r. J Comput Chem. 2019 Apr 15;40(10):1073-1083. doi: 10.1002/jcc.25593. Epub 2018 Oct 11. J Comput Chem. 2019. PMID: 30306596

6

Correction to "Comprehensive Investigation into Luminescent Properties of Ir(III) Complexes: An Integrated Computational Study of Radiative and Nonradiative Decay Processes".

Wang Y, Bao P, Wang J, Jia R, Bai FQ, Zhang HX. Wang Y, et al. Among authors: jia r. Inorg Chem. 2019 Apr 1;58(7):4699. doi: 10.1021/acs.inorgchem.9b00580. Epub 2019 Mar 13. Inorg Chem. 2019. PMID: 30864444 No abstract available.

7

Regulating vibrational modes to improve quantum efficiency: insights from theoretical calculations on iridium(iii) complexes bearing tridentate NCN and NNC chelates.

Lei Y , Guo H , Wang J , Jia R . Lei Y , et al. Among authors: jia r. Dalton Trans. 2019 Apr 9;48(15):5064-5071. doi: 10.1039/c8dt04882g. Dalton Trans. 2019. PMID: 30919842

8

How does the porphyrin-like vacancy affect the spectral properties of graphene quantum dots? A theoretical study.

Li HC, Jian W, Li Y, Jia R, Wang J, Zhao GJ, Bai FQ, Zhang HX. Li HC, et al. Among authors: jia r. J Phys Condens Matter. 2020 Apr 10;32(15):155902. doi: 10.1088/1361-648X/ab62bb. J Phys Condens Matter. 2020. PMID: 31846949

9

A novel T-C₃N and seawater desalination.

Zhou JQ, Li L, Fu C, Wang J, Fu P, Kong CP, Bai FQ, Eglitis RI, Zhang HX, Jia R. Zhou JQ, et al. Among authors: jia r. Nanoscale. 2020 Feb 27;12(8):5055-5066. doi: 10.1039/c9nr08108a. Nanoscale. 2020. PMID: 32068219

10

Molecular Dynamics Simulation Investigation of the Binding and Interaction of the EphA6-Odin Protein Complex.

Wu J, Zhou Y, Zhang J, Zhang HX, Jia R. Wu J, et al. Among authors: jia r. J Phys Chem B. 2022 Jul 7;126(26):4914-4924. doi: 10.1021/acs.jpcb.2c01492. Epub 2022 Jun 22. J Phys Chem B. 2022. PMID: 35732074

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